3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine

C14H17NO — CID 114746986

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine
SMILESNC1C=C(c2cccc3c2OCC3)CCC1
InChIInChI=1S/C14H17NO/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-16-14(10)13/h2-3,6,9,12H,1,4-5,7-8,15H2
InChIKeyCZRUSSFUWGVQCS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.52
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine

3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine (PubChem CID 114746986) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine
PubChem CID114746986
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine
SMILESNC1C=C(c2cccc3c2OCC3)CCC1
InChIInChI=1S/C14H17NO/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-16-14(10)13/h2-3,6,9,12H,1,4-5,7-8,15H2
InChIKeyCZRUSSFUWGVQCS-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran
CID 114747098
8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene
CID 107383866
3-[2-(trifluoromethyl)phenyl]cyclohex-2-en-1-amine
CID 65171992
5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117290116
3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
CID 107383052
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
2,3-dihydro-1-benzofuran-7-ylhydrazine
CID 12805955
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
7-cyclobutyloxy-2,3-dihydro-1-benzofuran
CID 142323380
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
CID 114746394
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine (CID 114746986) is 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine is NC1C=C(c2cccc3c2OCC3)CCC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine?
The InChIKey is CZRUSSFUWGVQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-12-5-1-4-11(9-12)13-6-2-3-10-7-8-16-14(10)13/h2-3,6,9,12H,1,4-5,7-8,15H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine?
3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 114746986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).